logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


PUBCHEM-ZINC01009637

 MMsINC code: MMs02756086
Type: Neutral
Formula: C19H17F3N2O3
SMILES:   FC(F)(F)C1(O)NC(=O)NC(C1C(=O)c1ccccc1)c1ccc(cc1)C
InChI:   InChI=1/C19H17F3N2O3/c1-11-7-9-12(10-8-11)15-14(16(25)13-5-3-2-4-6-13)18(27,19(20,21)22)24-17(26)23-15/h2-10,14-15,27H,1H3,(H2,23,24,26)/t14-,15+,18+/m1/s1

Download   format file 
Drug Similarity  |  Similarity to PDB ligands  
This browser does not support Java Applets.
Get the latest Java Plug-in here.
download 2D Mol File



download 3D Mol File

Potential Energy
Epot(MMFF94)=81.3391 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 378.35 g/mol  logS: -4.78713  SlogP: 3.61432  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.126744  Sterimol/B1: 3.35278  Sterimol/B2: 4.11194  Sterimol/B3: 4.51648
  Sterimol/B4: 7.02151  Sterimol/L: 15.5136 
 
 Surface and Volume Properties
  Accessible surface: 555.152  Positive charged surface: 274.658  Negative charged surface: 280.493  Volume: 319.875
  Hydrophobic surface: 366.722  Hydrophilic surface: 188.43
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.